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SCHEMBL25968620

SCHEMBL25968620

CC(=O)n1ccc2cc(CNC3(C(=O)O)CC(C(=O)OC(C)(C)C)N(C(=O)OCC4c5ccccc5-c5ccccc54)C3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.34
▸ CHRNA7 P36544 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25343338 0.88 CASP1 (0.36) CASP1
SCHEMBL25968596 0.88 CASP1 (0.36) CASP1
SCHEMBL25968518 0.86 CASP1 (0.39) CASP1
SCHEMBL25344636 0.85 CASP1 (0.36) CASP1
SCHEMBL25968525 0.84 CASP1 (0.37) CASP1
SCHEMBL25968589 0.83 NAMPT (0.37) CASP1
SCHEMBL25968519 0.83 CASP1 (0.37) CASP1
SCHEMBL25344766 0.82 CASP1 (0.37) CASP1
SCHEMBL25968601 0.82 CASP1 (0.37) CASP1
SCHEMBL25968586 0.82 ATM (0.43) CASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154724-A2 PROCESSES AND COMPOUNDS FOR PREPARING SPIROLIGOMERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-08-17 — — WO disclosed